SCHEMBL25566713

SCHEMBL25566713

COc1cc(NC(=O)Nc2ccc3c(c2)NC(=O)C3)ccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 1/20 0.52
▸ EPHX2 P34913 1/20 0.48
▸ TRPV1 Q8NER1 9/20 0.45
▸ DDR1 Q08345 1/20 0.45
▸ BRAF P15056 2/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25566737 0.84 MAPT (0.51) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL25566598 0.83 KDR (0.51) CSF1REPHX2TRPV1BRAF
SCHEMBL25566268 0.81 KDR (0.65) TRPV1
SCHEMBL22425121 0.77 MAPT (0.53) RAB9AMEN1KMT2APOLB
SCHEMBL25566469 0.76 CMA1 (0.45) CSF1REPHX2TRPV1
SCHEMBL25566378 0.76 CSF1R (0.52) CSF1REPHX2TRPV1
SCHEMBL25566546 0.76 TRPV1 (0.57) CSF1REPHX2TRPV1NPC1RAB9A
SCHEMBL22424926 0.75 MAPT (0.51) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3598229 0.74 KIF11 (0.68) EPHX2TRPV1RAB9AMEN1KMT2A
SCHEMBL25566709 0.74 CSF1R (0.41) CSF1REPHX2TRPV1DDR1BRAF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078207-A1 6-POSITION-SUBSTITUTED INDOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 南京中医药大学 2023-05-11 — — WO disclosed
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